2-(Aminooxy)-1-(4-methylpiperazin-1-yl)ethan-1-one
Basic information
- CAS
112257-39-3- Standard SMILES
CN1CCN(C(=O)CON)CC1- InChIKey
SQXBYDMOHGJMPO-UHFFFAOYSA-N- Molecular formula
- C7H15N3O2
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.11642673
Names & identifiers
- Preferred name
- 2-(Aminooxy)-1-(4-methylpiperazin-1-yl)ethan-1-one
- IUPAC
- 2-aminooxy-1-(4-methylpiperazin-1-yl)ethanone
- English name
- Piperazine, 1-[(aminooxy)acetyl]-4-methyl- (9CI)
- Molecular formula
- C7H15N3O2
- Molecular weight
- 173.21
Names & synonyms
112257-39-3DTXSID00667990AKOS017982275DB-277706Piperazine, 1-[(aminooxy)acetyl]-4-methyl-2-(Aminooxy)-1-(4-methylpiperazin-1-yl)ethan-1-one1-[(AMINOOXY)ACETYL]-4-METHYLPIPERAZINEPiperazine, 1-[(aminooxy)acetyl]-4-methyl- (9CI)Ethanone, 2-(aminooxy)-1-(4-methyl-1-piperazinyl)-
Database identifiers
- CAS
112257-39-3- PubChem CID
- 45099596
- DTXSID
DTXSID00667990
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 337.4 · 337.4±37.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 6.78 · 6.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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